ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide

C12H19NO2 — CID 145145481

IUPACethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)C.CC
InChIInChI=1S/C10H13NO2.C2H6/c1-5-8(7-12)9(6-2)10(13)11(3)4;1-2/h5-7H,1-2H2,3-4H3;1-2H3/b9-8-;
InChIKeyHXUZWAPWMGPMRT-UOQXYWCXSA-N
MW209.29 g/mol
LogP1.97
Rot. Bonds4

About ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide

ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide (PubChem CID 145145481) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
PubChem CID145145481
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)C.CC
InChIInChI=1S/C10H13NO2.C2H6/c1-5-8(7-12)9(6-2)10(13)11(3)4;1-2/h5-7H,1-2H2,3-4H3;1-2H3/b9-8-;
InChIKeyHXUZWAPWMGPMRT-UOQXYWCXSA-N
XLogP1.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
CID 153331395
(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
CID 143087649
(2Z)-N-[4-[4-[(3E,4E)-3,4-di(ethylidene)-2,5-dioxopyrrolidin-1-yl]phenyl]sulfonylphenyl]-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
CID 143851669
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
CID 143537034
(2Z,5Z,6Z,8Z)-5-butan-2-ylidene-2,3-bis(ethenyl)-4-oxodeca-2,6,8-trienal
CID 145266493
N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
CID 89138735
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
(2E,4Z)-2-ethenyl-N,N,4-trimethylhexa-2,4-dienamide
CID 143013710
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide?
The IUPAC name of ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide (CID 145145481) is ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide.
What is the SMILES notation for ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide?
The canonical SMILES for ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide is C=C/C(C=O)=C(\C=C)C(=O)N(C)C.CC.
What is the InChIKey of ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide?
The InChIKey is HXUZWAPWMGPMRT-UOQXYWCXSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-5-8(7-12)9(6-2)10(13)11(3)4;1-2/h5-7H,1-2H2,3-4H3;1-2H3/b9-8-;.
What are the key properties of ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide?
ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 145145481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).